2-hexoxyethoxycyclohexane

C14H28O2 — CID 53426952

IUPAC2-hexoxyethoxycyclohexane
SMILESCCCCCCOCCOC1CCCCC1
InChIInChI=1S/C14H28O2/c1-2-3-4-8-11-15-12-13-16-14-9-6-5-7-10-14/h14H,2-13H2,1H3
InChIKeySJXUEEADJZPQMN-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds9

About 2-hexoxyethoxycyclohexane

2-hexoxyethoxycyclohexane (PubChem CID 53426952) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-hexoxyethoxycyclohexane.

Molecular Properties

Compound Name2-hexoxyethoxycyclohexane
PubChem CID53426952
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-hexoxyethoxycyclohexane
SMILESCCCCCCOCCOC1CCCCC1
InChIInChI=1S/C14H28O2/c1-2-3-4-8-11-15-12-13-16-14-9-6-5-7-10-14/h14H,2-13H2,1H3
InChIKeySJXUEEADJZPQMN-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexoxyethoxycyclohexane?
The IUPAC name of 2-hexoxyethoxycyclohexane (CID 53426952) is 2-hexoxyethoxycyclohexane.
What is the SMILES notation for 2-hexoxyethoxycyclohexane?
The canonical SMILES for 2-hexoxyethoxycyclohexane is CCCCCCOCCOC1CCCCC1.
What is the InChIKey of 2-hexoxyethoxycyclohexane?
The InChIKey is SJXUEEADJZPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-3-4-8-11-15-12-13-16-14-9-6-5-7-10-14/h14H,2-13H2,1H3.
What are the key properties of 2-hexoxyethoxycyclohexane?
2-hexoxyethoxycyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxyethoxycyclohexane is sourced from PubChem (CID 53426952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).